CAS RN: 126213-50-1
CAS Name: 2,3-dihydrothieno[3,4-b][1,4]dioxin
OPENEYE Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine
IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine
SYSTEMATIC NAME: 2,3-dihydrothieno[3,4-b][1,4]dioxine
MOLECULAR FORMULA: C6H6O2S
MOLECULAR WEIGHT: 142.17564
SMILES: C1COC2=CSC=C2O1
Structure:
CAS RN: 83732-50-7
CAS Name: 2-(1-phenylethylamino)acetic acid methyl ester
OPENEYE Name: methyl 2-(1-phenylethylamino)acetate
IUPAC Name: methyl 2-(1-phenylethylamino)acetate
SYSTEMATIC NAME: methyl 2-(1-phenylethylamino)ethanoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC(C1=CC=CC=C1)NCC(=O)OC
Structure:
CAS RN: 5220-65-5
CAS Name: 5-acetyl-6-methyl-1H-pyridin-2-one
OPENEYE Name: 5-acetyl-6-methyl-1H-pyridin-2-one
IUPAC Name: 5-acetyl-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 5-ethanoyl-6-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=C(C=CC(=O)N1)C(=O)C
Structure:
CAS RN: 82-33-7
CAS Name: 1,4-diamino-5-nitroanthracene-9,10-dione
OPENEYE Name: 1,4-diamino-5-nitro-anthracene-9,10-dione
IUPAC Name: 1,4-diamino-5-nitroanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(azanyl)-5-nitro-anthracene-9,10-dione
MOLECULAR FORMULA: C14H9N3O4
MOLECULAR WEIGHT: 283.23896
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)N)N
Structure:
CAS RN: 7248-65-9
CAS Name: 1-(2-chlorophenyl)-3-(2-methyl-4-oxopentan-2-yl)thiourea
OPENEYE Name: 1-(2-chlorophenyl)-3-(1,1-dimethyl-3-oxo-butyl)thiourea
IUPAC Name: 1-(2-chlorophenyl)-3-(2-methyl-4-oxopentan-2-yl)thiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-(2-methyl-4-oxidanylidene-pentan-2-yl)thiourea
MOLECULAR FORMULA: C13H17ClN2OS
MOLECULAR WEIGHT: 284.80488
SMILES: CC(=O)CC(C)(C)NC(=S)NC1=CC=CC=C1Cl
Structure:
CAS RN: 102306-78-5
CAS Name: 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
OPENEYE Name: 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
IUPAC Name: 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
SYSTEMATIC NAME: 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one
MOLECULAR FORMULA: C7H8O3
MOLECULAR WEIGHT: 140.13662
SMILES: C1CC(=O)C2=C1OCOC2
Structure:
CAS RN: 334932-13-7
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CC(C)(C)OC(=O)NC1CCCC(C1)C(=O)O
Structure:
CAS RN: 29545-48-0
CAS Name: 4-(3-hydroxy-4,4-dimethyl-2-tridecyl-2-oxazolidinyl)butanoic acid
OPENEYE Name: 4-(3-hydroxy-4,4-dimethyl-2-tridecyl-oxazolidin-2-yl)butanoic acid
IUPAC Name: 4-(3-hydroxy-4,4-dimethyl-2-tridecyl-1,3-oxazolidin-2-yl)butanoic acid
SYSTEMATIC NAME: 4-(4,4-dimethyl-3-oxidanyl-2-tridecyl-1,3-oxazolidin-2-yl)butanoic acid
MOLECULAR FORMULA: C22H43NO4
MOLECULAR WEIGHT: 385.58112
SMILES: CCCCCCCCCCCCCC1(N(C(CO1)(C)C)O)CCCC(=O)O
Structure:
CAS RN: 7227-54-5
CAS Name: 4-nitrobenzoate
OPENEYE Name: 4-nitrobenzoate
IUPAC Name: 4-nitrobenzoate
SYSTEMATIC NAME: 4-nitrobenzoate
MOLECULAR FORMULA: C7H4NO4-
MOLECULAR WEIGHT: 166.11096
SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 60-38-8
CAS Name: acetic acid [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O
Structure:
CAS RN: 43077-77-6
CAS Name: 5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
OPENEYE Name: 5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
IUPAC Name: 5-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-oxidanyl-4-oxidanylidene-1H-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H5NO4
MOLECULAR WEIGHT: 155.1082
SMILES: C1=C(NC=C(C1=O)O)C(=O)O
Structure:
CAS RN: 84661-50-7
CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylate
OPENEYE Name: 5-amino-3-methyl-isoxazole-4-carboxylate
IUPAC Name: 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C5H5N2O3-
MOLECULAR WEIGHT: 141.1048
SMILES: CC1=NOC(=C1C(=O)[O-])N
Structure:
CAS RN: 41301-66-0
CAS Name: 1-(2-ethoxy-2-oxoethyl)-2-oxo-1-cyclopentanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(2-ethoxy-2-oxo-ethyl)-2-oxo-cyclopentanecarboxylate
IUPAC Name: ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C12H18O5
MOLECULAR WEIGHT: 242.26832
SMILES: CCOC(=O)CC1(CCCC1=O)C(=O)OCC
Structure:
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